Methyl 9-cyclopropylnonanoate
PubChem CID: 543433
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| Compound Synonyms | Methyl 9-cyclopropylnonanoate, Cyclopropanenonanoic acid methyl ester, 10152-60-0, Cyclopropanenonanoic acid, methyl ester, SCHEMBL11695325, BWTASFYKDVYYKM-UHFFFAOYSA-N, methyl 10,11-methyleneundecanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 9-cyclopropylnonanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C13H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWTASFYKDVYYKM-UHFFFAOYSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -4.862 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.824 |
| Compound Name | Methyl 9-cyclopropylnonanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6401645999999994 |
| Inchi | InChI=1S/C13H24O2/c1-15-13(14)9-7-5-3-2-4-6-8-12-10-11-12/h12H,2-11H2,1H3 |
| Smiles | COC(=O)CCCCCCCCC1CC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients